4-acetylpiperazine-1-carboximidamide;hydrochloride

C7H15ClN4O — CID 66718935

IUPAC4-acetylpiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCN(C(C)=O)CC1
InChIInChI=1S/C7H14N4O.ClH/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H
InChIKeyUFAGZOCCOSONNE-UHFFFAOYSA-N
MW206.68 g/mol
LogP-0.53
Rot. Bonds

About 4-acetylpiperazine-1-carboximidamide;hydrochloride

4-acetylpiperazine-1-carboximidamide;hydrochloride (PubChem CID 66718935) has the molecular formula C7H15ClN4O and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-acetylpiperazine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-acetylpiperazine-1-carboximidamide;hydrochloride
PubChem CID66718935
Molecular FormulaC7H15ClN4O
Molecular Weight206.68 g/mol
Exact Mass206.09
IUPAC Name4-acetylpiperazine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCN(C(C)=O)CC1
InChIInChI=1S/C7H14N4O.ClH/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H
InChIKeyUFAGZOCCOSONNE-UHFFFAOYSA-N
XLogP-0.53
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-acetylpiperazine-1-carboximidamide;hydrochloride?
The IUPAC name of 4-acetylpiperazine-1-carboximidamide;hydrochloride (CID 66718935) is 4-acetylpiperazine-1-carboximidamide;hydrochloride.
What is the SMILES notation for 4-acetylpiperazine-1-carboximidamide;hydrochloride?
The canonical SMILES for 4-acetylpiperazine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetylpiperazine-1-carboximidamide;hydrochloride?
The InChIKey is UFAGZOCCOSONNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O.ClH/c1-6(12)10-2-4-11(5-3-10)7(8)9;/h2-5H2,1H3,(H3,8,9);1H.
What are the key properties of 4-acetylpiperazine-1-carboximidamide;hydrochloride?
4-acetylpiperazine-1-carboximidamide;hydrochloride has a molecular weight of 206.68 g/mol, XLogP of -0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpiperazine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 66718935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).